SCHEMBL29175151

SCHEMBL29175151

C=C(CCCCC)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22472284 0.95 HPGD (0.45) HPGDTDP1TAS1R3TAS1R1PARP1
SCHEMBL9556851 0.83 ESR1 (0.49)
SCHEMBL14823448 0.81 ESR1 (0.51) CES2CES1
SCHEMBL13496379 0.80 ALDH1A1 (0.48) HPGDALDH1A1MAPTCES2CES1
SCHEMBL714034 0.80 CES2 (0.56) CES2CES1
SCHEMBL8444352 0.80 HPGD (0.50) HPGDTDP1TAS1R3TAS1R1PARP1
SCHEMBL465114 0.78 CES2 (0.58) TDP1MAPTCES2CES1
SCHEMBL3803931 0.78 CES2 (0.58) TDP1MAPTCES2CES1
SCHEMBL19042193 0.78 L3MBTL1 (0.46) TDP1ALDH1A1CES2CES1
SCHEMBL29827 0.78 CES2 (0.58) TDP1MAPTCES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720787-A Flexible metal clad laminate and method of making the same 科腾聚合物荷兰有限责任公司 2024-03-19 CN disclosed